ChemSpider 2D Image | Bis(2-methoxyethyl) (1R,2S,3R,4S)-2-[4-(dimethylamino)phenyl]-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate | C23H33NO8

Bis(2-methoxyethyl) (1R,2S,3R,4S)-2-[4-(dimethylamino)phenyl]-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate

  • Molecular FormulaC23H33NO8
  • Average mass451.510 Da
  • Monoisotopic mass451.220612 Da
  • ChemSpider ID62415296

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1R,2S,3R,4S)-2-[4-(Diméthylamino)phényl]-4-hydroxy-4-méthyl-6-oxo-1,3-cyclohexanedicarboxylate de bis(2-méthoxyéthyle) [French] [ACD/IUPAC Name]
1,3-Cyclohexanedicarboxylic acid, 2-[4-(dimethylamino)phenyl]-4-hydroxy-4-methyl-6-oxo-, bis(2-methoxyethyl) ester, (1R,2S,3R,4S)- [ACD/Index Name]
Bis(2-methoxyethyl) (1R,2S,3R,4S)-2-[4-(dimethylamino)phenyl]-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate [ACD/IUPAC Name]
Bis(2-methoxyethyl)-(1R,2S,3R,4S)-2-[4-(dimethylamino)phenyl]-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexandicarboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 582.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 305.8±30.1 °C
Index of Refraction: 1.535
Molar Refractivity: 116.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 1.44
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 7.55
ACD/KOC (pH 5.5): 129.24
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 11.95
ACD/KOC (pH 7.4): 204.64
Polar Surface Area: 112 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 47.6±3.0 dyne/cm
Molar Volume: 374.5±3.0 cm3

Click to predict properties on the Chemicalize site


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